1-(3,4-dichlorophenyl)-2-methyl-5-propylpiperazine

C14H20Cl2N2 — CID 64933320

IUPAC1-(3,4-dichlorophenyl)-2-methyl-5-propylpiperazine
SMILESCCCC1CN(c2ccc(Cl)c(Cl)c2)C(C)CN1
InChIInChI=1S/C14H20Cl2N2/c1-3-4-11-9-18(10(2)8-17-11)12-5-6-13(15)14(16)7-12/h5-7,10-11,17H,3-4,8-9H2,1-2H3
InChIKeyMMEPQHVODYWMSZ-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.96
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-2-methyl-5-propylpiperazine

1-(3,4-dichlorophenyl)-2-methyl-5-propylpiperazine (PubChem CID 64933320) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-methyl-5-propylpiperazine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-methyl-5-propylpiperazine
PubChem CID64933320
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name1-(3,4-dichlorophenyl)-2-methyl-5-propylpiperazine
SMILESCCCC1CN(c2ccc(Cl)c(Cl)c2)C(C)CN1
InChIInChI=1S/C14H20Cl2N2/c1-3-4-11-9-18(10(2)8-17-11)12-5-6-13(15)14(16)7-12/h5-7,10-11,17H,3-4,8-9H2,1-2H3
InChIKeyMMEPQHVODYWMSZ-UHFFFAOYSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-2,5-dimethylpiperazine
CID 11565136
1-(4-fluoro-3-methylphenyl)-2-methyl-5-propylpiperazine
CID 64940190
1-(3-fluoro-4-methoxyphenyl)-2-methyl-5-propylpiperazine
CID 64934821
1-(3,4-dichlorophenyl)-2-methyl-5-phenylpiperazine
CID 64935055
1-(3-chloro-2-methylphenyl)-2-methyl-5-propylpiperazine
CID 64935839
1-(5-chloro-2-methoxyphenyl)-2-methyl-5-propylpiperazine
CID 64933518
1-[(2,5-dichlorophenyl)methyl]-2-methyl-5-propylpiperazine
CID 65317892
1-(3,5-dichloro-4-fluorophenyl)-2-ethyl-5-propylpiperazine
CID 107579958
1-(2,5-difluorophenyl)-2-methyl-5-propylpiperazine
CID 64932182
1-(2-fluoro-5-methylphenyl)-2-methyl-5-propylpiperazine
CID 64933636
2-methyl-1-(2,3,4,5,6-pentafluorophenyl)-5-propylpiperazine
CID 115565123
1-(4-bromo-3-chlorophenyl)-2,5-dimethylpiperazine
CID 107617341

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-methyl-5-propylpiperazine?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-methyl-5-propylpiperazine (CID 64933320) is 1-(3,4-dichlorophenyl)-2-methyl-5-propylpiperazine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-methyl-5-propylpiperazine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-methyl-5-propylpiperazine is CCCC1CN(c2ccc(Cl)c(Cl)c2)C(C)CN1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-methyl-5-propylpiperazine?
The InChIKey is MMEPQHVODYWMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-3-4-11-9-18(10(2)8-17-11)12-5-6-13(15)14(16)7-12/h5-7,10-11,17H,3-4,8-9H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-methyl-5-propylpiperazine?
1-(3,4-dichlorophenyl)-2-methyl-5-propylpiperazine has a molecular weight of 287.23 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-methyl-5-propylpiperazine is sourced from PubChem (CID 64933320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).